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	hartrees
Energy at 0K	-227.203726
Energy at 298.15K
HF Energy	-226.586437
Nuclear repulsion energy	101.270789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	3057	2880	0.00	207.23	0.27	0.43
2	A_g	1763	1662	0.00	17.29	0.64	0.78
3	A_g	1401	1320	0.00	14.69	0.46	0.63
4	A_g	1122	1057	0.00	7.61	0.63	0.78
5	A_g	569	536	0.00	4.96	0.35	0.52
6	A_u	830	782	1.90	0.00	0.00	0.00
7	A_u	152	143	30.33	0.00	0.00	0.00
8	B_g	1077	1015	0.00	9.01	0.75	0.86
9	B_u	3052	2876	118.38	0.00	0.32	0.48
10	B_u	1747	1646	87.16	0.00	0.00	0.00
11	B_u	1369	1290	6.62	0.00	0.48	0.00
12	B_u	335	316	51.64	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	-0.331	0.680
C2	0.331	-0.680
H3	-1.436	0.666
H4	1.436	-0.666
O5	0.331	1.708
O6	-0.331	-1.708

	C1	C2	H3	H4	O5	O6
C1		1.5126	1.1049	2.2219	1.2232	2.3876
C2	1.5126		2.2219	1.1049	2.3876	1.2232
H3	1.1049	2.2219		3.1666	2.0517	2.6185
H4	2.2219	1.1049	3.1666		2.6185	2.0517
O5	1.2232	2.3876	2.0517	2.6185		3.4792
O6	2.3876	1.2232	2.6185	2.0517	3.4792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	115.293	C1	C2	O6	121.190
C2	C1	H3	115.293	C2	C1	O5	121.190
H3	C1	O5	123.518	H4	C2	O6	123.518

All results from a given calculation for C₂H₂O₂ (Ethanedial)

using model chemistry: MP2=FULL/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H2O2 (Ethanedial)

using model chemistry: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for C₂H₂O₂ (Ethanedial)